Geometry & MOs

Info

ID:	176021
PubChem CID:	75982541
Reduced:	FN3O3C17H20 (1)
Stoich.:	AB3C3D17E20 (1)
Weight, g/mol:	251.095771
ΔH_f, kcal/mol:	-85.31
Dipole, Da:	2.94
IP(EA), eV:	-8.85(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-fluoro-5-(4-oxopiperidin-2-yl)benzoate

Drug info:

PubChemData

Smile

CC(CN=C1C(C(=O)C1=O)N2CCN(CC2)C3=CC=C(C=C3)F)O

DOS

IR

Vibrations